input word = C00003631

Metabolite InformationStructural formula
Name Musaroside
Formula C30H44O10
Mw 564.29344763
CAS RN 465-97-4
C_ID C00003631 ,
InChIKey TYVPUZUDLFQZOP-QNPOJKKHNA-N
InChICode InChI=1S/C30H44O10/c1-14-22(32)25(37-4)24(34)27(39-14)40-17-7-9-28(2)16(12-17)5-6-19-21(28)23(33)26(35)29(3)18(8-10-30(19,29)36)15-11-20(31)38-13-15/h11,14,16-19,21-22,24-27,32,34-36H,5-10,12-13H2,1-4H3/t14-,16+,17-,18+,19+,21+,22-,24+,25-,26+,27+,28-,29-,30-/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1=O)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrophanthus divaricatus Ref.
PlantaeApocynaceaeStrophanthus kombe Ref.
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OrganismStrophanthus kombe
ReferenceNagata,Helv.Chim.Acta,40,(1957),41

Kaiser,Justus Liebigs Ann.Chem.,643,(1961),192